1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol

C18H26ClNO — CID 58458138

IUPAC1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
SMILESC=C(C(C)C)[C@H](CN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c1-13(2)14(3)18(15-4-6-16(19)7-5-15)12-20-10-8-17(21)9-11-20/h4-7,13,17-18,21H,3,8-12H2,1-2H3/t18-/m0/s1
InChIKeyGWGMURLRILKXNK-SFHVURJKSA-N
MW307.87 g/mol
LogP4.09
Rot. Bonds5

About 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol

1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol (PubChem CID 58458138) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
PubChem CID58458138
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
SMILESC=C(C(C)C)[C@H](CN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c1-13(2)14(3)18(15-4-6-16(19)7-5-15)12-20-10-8-17(21)9-11-20/h4-7,13,17-18,21H,3,8-12H2,1-2H3/t18-/m0/s1
InChIKeyGWGMURLRILKXNK-SFHVURJKSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol (CID 58458138) is 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol is C=C(C(C)C)[C@H](CN1CCC(O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol?
The InChIKey is GWGMURLRILKXNK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13(2)14(3)18(15-4-6-16(19)7-5-15)12-20-10-8-17(21)9-11-20/h4-7,13,17-18,21H,3,8-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol?
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol has a molecular weight of 307.87 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol is sourced from PubChem (CID 58458138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).